3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide

C19H21Cl2NO3S — CID 100603883

IUPAC3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H21Cl2NO3S/c1-3-18(13-7-9-14(10-8-13)26(2,24)25)22-19(23)12-11-15-16(20)5-4-6-17(15)21/h4-10,18H,3,11-12H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyKMYFEUHGGLRQKF-SFHVURJKSA-N
MW414.35 g/mol
LogP4.60
Rot. Bonds7

About 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide

3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide (PubChem CID 100603883) has the molecular formula C19H21Cl2NO3S and a molecular weight of 414.35 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
PubChem CID100603883
Molecular FormulaC19H21Cl2NO3S
Molecular Weight414.35 g/mol
Exact Mass413.06
IUPAC Name3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H21Cl2NO3S/c1-3-18(13-7-9-14(10-8-13)26(2,24)25)22-19(23)12-11-15-16(20)5-4-6-17(15)21/h4-10,18H,3,11-12H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyKMYFEUHGGLRQKF-SFHVURJKSA-N
XLogP4.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100592426
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100604900
3-benzylsulfanyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 132659492
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895447
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133158339
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]acetamide
CID 100526151
3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 133225048
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132673292
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide (CID 100603883) is 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide is CC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The InChIKey is KMYFEUHGGLRQKF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21Cl2NO3S/c1-3-18(13-7-9-14(10-8-13)26(2,24)25)22-19(23)12-11-15-16(20)5-4-6-17(15)21/h4-10,18H,3,11-12H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide has a molecular weight of 414.35 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide is sourced from PubChem (CID 100603883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).